3-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Chemical Structure Depiction of
3-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
3-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Compound characteristics
| Compound ID: | 6143-0086 |
| Compound Name: | 3-{[(2-chlorophenyl)methyl]sulfanyl}-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine |
| Molecular Weight: | 304.8 |
| Molecular Formula: | C14 H13 Cl N4 S |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SCc1ccccc1[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.1305 |
| logD: | 3.1305 |
| logSw: | -3.3575 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 31.653 |
| InChI Key: | DTXISKFUVTXHTD-UHFFFAOYSA-N |